G001-0692 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

G001-0692 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione
G001-0692 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0692
5-(4-fluorophenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G001-0692

Molecular Formula

C18H17FN2O2S (C18 H17 FN2 O2 S)

Compound Name

5-(4-fluorophenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(4-fluorophenyl)-4-methyl-3-{[(2-methylphenyl)methyl]amino}-1lambda62-thiazole-11-dione

SMILES

CC(C(NCc1c(C)cccc1)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C18H17FN2O2S/c1-12-5-3-4-6-15(12)11-20-18-13(2)17(24(22,23)21-18)14-7-9-16(19)10-8-14/h3-10H,11H2,1-2H3,(H,20,21)

InChI Key

YJCZXRCTWZKFRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-3.92

Polar Surface Area

52.166

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G001-0692 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G001-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0692?
Check Price and Availability of G001-0692, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G001-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0692
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G001-0692 available by request